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PBEsol/HSE functional: a promising candidate for vanadium dioxide (B) characterization

descriptionPublicationkeyboard_double_arrow_right Article 01 Jan 2022 English Publisher:Royal Society of Chemistry (RSC)Journal:RSC Advances, volume 12, pages 31,255-31,263 (eissn: 2046-2069, Copyright policy )Funded by:EC | NANO-EH
Authors: Mohebbi; Pavoni; Mencarelli; Stipa; Pierantoni; Laudadio;

doi: 10.1039/d2ra04322j , 10.5281/zenodo.8020193 , 10.5281/zenodo.8020194

pmid: 36349030

pmc: PMC9623555

PBEsol/HSE functional: a promising candidate for vanadium dioxide (B) characterization

Abstract

A VO2(B) polymorph has been thoroughly investigated by means of density functional theory (DFT) calculations to evaluate the structure, Raman spectrum, cohesive energy, phonon band structure, an delectronic and optical properties.

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Keywords

Chemistry, VO2 polymorphs

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selected citations
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This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
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